3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane

C17H25N3O5 — CID 158136847

IUPAC3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane
SMILESC1CCOC1.CCCCc1noc(C)c1COc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C13H17N3O4.C4H8O/c1-3-4-5-10-9(8(2)20-16-10)7-19-12-6-11(13(17)18)14-15-12;1-2-4-5-3-1/h6H,3-5,7H2,1-2H3,(H,14,15)(H,17,18);1-4H2
InChIKeyFTLGBIDAWOZADR-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.12
Rot. Bonds7

About 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane

3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane (PubChem CID 158136847) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane.

Molecular Properties

Compound Name3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane
PubChem CID158136847
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane
SMILESC1CCOC1.CCCCc1noc(C)c1COc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C13H17N3O4.C4H8O/c1-3-4-5-10-9(8(2)20-16-10)7-19-12-6-11(13(17)18)14-15-12;1-2-4-5-3-1/h6H,3-5,7H2,1-2H3,(H,14,15)(H,17,18);1-4H2
InChIKeyFTLGBIDAWOZADR-UHFFFAOYSA-N
XLogP3.12
TPSA110.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane with MolForge

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Related Compounds

3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
CID 59568392
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 59568483
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 66598335
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide
CID 67492257
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propan-2-ylpyridazine-3-carboxamide
CID 66643929
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
CID 59568543
methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-4-carboxylate
CID 66643769
(2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate
CID 66643741
[(2R)-1-amino-1-oxopropan-2-yl] 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
CID 66643927
methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate
CID 66643834
(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine
CID 66643513
ethyl 3-(3-piperidin-1-ylpropoxy)-1H-pyrazole-5-carboxylate
CID 68993564

Frequently Asked Questions

What is the IUPAC name of 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane?
The IUPAC name of 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane (CID 158136847) is 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane.
What is the SMILES notation for 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane?
The canonical SMILES for 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane is C1CCOC1.CCCCc1noc(C)c1COc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane?
The InChIKey is FTLGBIDAWOZADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4.C4H8O/c1-3-4-5-10-9(8(2)20-16-10)7-19-12-6-11(13(17)18)14-15-12;1-2-4-5-3-1/h6H,3-5,7H2,1-2H3,(H,14,15)(H,17,18);1-4H2.
What are the key properties of 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane?
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane has a molecular weight of 351.40 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane is sourced from PubChem (CID 158136847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).